SCHEMBL6946314

SCHEMBL6946314

N#CCCn1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.58
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
TGFBR1 P36897 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7816058 0.90 MAPK14 (0.51) MAPK14USP2ALDH1A1CYP1A2TSHR
SCHEMBL7811422 0.86 MAPK14 (0.46) MAPK14USP2ALDH1A1CYP1A2TSHR
SCHEMBL6947830 0.81 MAPK14 (0.60) MAPK14
SCHEMBL4592699 0.80 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4584442 0.78 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL6947142 0.77 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6948154 0.77 MAPK14 (0.90) MAPK14
SCHEMBL4984681 0.77 MAPK14 (0.62) MAPK14
SCHEMBL4985137 0.76 MAPK14 (0.61) MAPK14MAPK11
SCHEMBL4987749 0.76 MAPK14 (0.58) MAPK14MAPK11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996446-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP claimed
US-6562832-B1 Cytokine suppressive anti-inflammatory drugs, capable of inhibiting the CSBP/p38/RK kinase SMITHKLINE BEECHAM CORPORATION 2003-05-13 US claimed
EP-0996446-A4 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-08-29 EP claimed
EP-0996446-A1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-03 EP claimed
WO-1999001131-A1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO claimed
EP-0996446-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
US-6562832-B1 Cytokine suppressive anti-inflammatory drugs, capable of inhibiting the CSBP/p38/RK kinase SMITHKLINE BEECHAM CORPORATION 2003-05-13 US disclosed
US-6046208-A TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, ENDOTOXEMIA AND/OR TOXIC SHOCK SYNDROME, OTHER ACUTE OR CHRONIC INFLAMMATORY DISEASE STATES SUCH AS THE INFLAMMATORY REACTION INDUCED BY ENDOTOXIN OR INFLAMMATORY BOWEL DISEASE SMITHKLINE BEECHAM CORPORATION (US) 2000-04-04 US disclosed